CID 3109677

5-thiocyanatothiazol-2-amine

Structural Information

Molecular Formula

C₄H₃N₃S₂

SMILES

C1=C(SC(=N1)N)SC#N

InChI

InChI=1S/C4H3N3S2/c5-2-8-3-1-7-4(6)9-3/h1H,(H2,6,7)

InChIKey

HUMARXMRTXDPPK-UHFFFAOYSA-N

Compound name

(2-amino-1,3-thiazol-5-yl) thiocyanate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 178
Patents: 156.97684 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	157.98412	121.5
[M+Na]+	179.96606	131.1
[M+NH4]+	175.01066	127.3
[M+K]+	195.94000	121.7
[M-H]-	155.96956	116.5
[M+Na-2H]-	177.95151	124.1
[M]+	156.97629	121.3
[M]-	156.97739	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe